Poliglicerol poliricinoleat : Osobine, Reference, Literatura, Spoljašnje veze Wikipedia, slobodna enciklopedija

Poliglicerol poliricinoleat

Identifikacija

CAS registarski broj

29894-35-7^Y

PubChem^[1]^[2]

9843407

Jmol-3D slike

Slika 1

SMILES

CCCCCCC(O)C\C=C/CCCCCCCC(=O)O.OCC(O)CO

InChI
InChI=1S/C18H34O3.C3H8O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;4-1-3(6)2-5/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-6H,1-2H2/b12-9-;^Y Kod: CJJXHKDWGQADHB-MWMYENNMSA-N^Y

Svojstva

Molekulska formula

C₂₁H₄₂O₆

Molarna masa

390.55 g mol⁻¹

Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Poliglicerol poliricinoleat je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 390,555 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	5
Broj rotacionih veza	17
Particioni koeficijent^[3] (ALogP)	4,2
Rastvorljivost^[4] (logS, log(mol/L))	-6,8
Polarna površina^[5] (PSA, Å²)	118,2

↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.

Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.